Geometry & MOs

Info

ID:

45160

PubChem CID:

10508584

Reduced:

F3N4O5C36H37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

662.305075

ΔHf, kcal/mol:

-231.19

Dipole, Da:

3.49

IP(EA), eV:

 -7.93(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(benzo[b][1]benzazepine-11-carbonylamino)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(=C(F)F)F)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(C)O

DOS

IR

Vibrations